Molecule ID: mol37937

SMILES: O=C1/C(=N\Nc2ccccc2C(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C17H12N2O9S2/c20-16-11-6-5-10(29(23,24)25)7-9(11)8-14(30(26,27)28)15(16)19-18-13-4-2-1-3-12(13)17(21)22/h1-8,18H,(H,21,22)(H,23,24,25)(H,26,27,28)/b19-15-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
13.20 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization